Geometry & MOs

Info

ID:	443327
PubChem CID:	135258598
Reduced:	ON6C22H24 (1)
Stoich.:	AB6C22D24 (1)
Weight, g/mol:	408.209616
ΔH_f, kcal/mol:	91.15
Dipole, Da:	8.1
IP(EA), eV:	-8.37(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2Z)-2-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)hydrazinyl]-1-[4-(4-methylphenyl)piperazin-1-yl]ethanethione

Drug info:

PubChemData

Smile

CC1=C2C(=NC=C1)/C(=N\NC(=C)N3CCN(CC3)C4=CC=C(C=C4)C#N)/CCO2

DOS

IR

Vibrations